N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C22H23ClFN3OS MolecularWeight: 431.953923

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H23ClFN3OS/c1-2-7-21-17(14-26-27(21)16-8-4-3-5-9-16)22(28)25-12-13-29-15-18-19(23)10-6-11-20(18)24/h3-6,8-11,14H,2,7,12-13,15H2,1H3,(H,25,28)